1130

Source:http://linkedlifedata.com/resource/chembl/compound/1130

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:1130_2,4-Disulfamyltrifluoromethylaniline_OTHER
chemicalCompound:standardIn...	InChI=1S/C7H8F3N3O4S2/c8-7(9,10)3-1-4(11)6(19(13,16)17)2-5(3)18(12,14)15/h1-2H,11H2,(H2,12,14,15)(H2,13,16,17)
chemicalCompound:standardIn...	KRVABEGPNKGLOT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1cc(c(cc1S(=O)(=O)N)S(=O)(=O)N)C(F)(F)F
chemicalCompound:molecularF...	C7H8F3N3O4S2
chemicalCompound:moleculeId	1130
chemicalCompound:mwFreebase	319.281
chemicalCompound:alogp	-0.564
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	163.1
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.138
chemicalCompound:acdLogP	0.384
chemicalCompound:acdLogD	0.373
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	319.281
chemicalCompound:chemblId	CHEMBL418
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:101130
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:43268
chemicalCompound:activity	activity:91894, activity:610071, activity:610072, activity:610073, activity:610074, activity:740061, activity:740062, activity:740063, activity:1423468, activity:1423469, activity:1423470, activity:1423471, activity:1426785, activity:1426786, activity:1426787, activity:1436527, activity:1436528, activity:1436529, activity:1436530, activity:1438207, activity:1438208, activity:1438209, activity:1438210, activity:1438211, activity:1456542, activity:1456543, activity:1456544, activity:1461508, activity:1461509, activity:1461510, activity:1461511, activity:1461512, activity:1461513, activity:1655219, activity:1655220, activity:1655221, activity:1692872, activity:1692918, activity:1692964, activity:1693010, activity:1708279, activity:1708314, activity:1708349, activity:1708384, activity:1804146, activity:1804160, activity:1804174, activity:1804188, activity:1967249, activity:1967293, activity:1967339, activity:1967385, activity:1969718, activity:1969728, activity:1969738, activity:1969747, activity:1969757, activity:1969767, activity:1969777, activity:1969786, activity:1969796, activity:1969806, activity:1969816, activity:1969826, activity:1969836